5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine

C12H23NO — CID 118901667

IUPAC5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
SMILESCC1OCC2CN(C(C)(C)C)CCC21
InChIInChI=1S/C12H23NO/c1-9-11-5-6-13(12(2,3)4)7-10(11)8-14-9/h9-11H,5-8H2,1-4H3
InChIKeyPHFQLQYJTORKLW-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.14
Rot. Bonds

About 5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine

5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine (PubChem CID 118901667) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine.

Molecular Properties

Compound Name5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
PubChem CID118901667
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
SMILESCC1OCC2CN(C(C)(C)C)CCC21
InChIInChI=1S/C12H23NO/c1-9-11-5-6-13(12(2,3)4)7-10(11)8-14-9/h9-11H,5-8H2,1-4H3
InChIKeyPHFQLQYJTORKLW-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The IUPAC name of 5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine (CID 118901667) is 5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine.
What is the SMILES notation for 5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The canonical SMILES for 5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine is CC1OCC2CN(C(C)(C)C)CCC21.
What is the InChIKey of 5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
The InChIKey is PHFQLQYJTORKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-11-5-6-13(12(2,3)4)7-10(11)8-14-9/h9-11H,5-8H2,1-4H3.
What are the key properties of 5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine?
5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine has a molecular weight of 197.32 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine is sourced from PubChem (CID 118901667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).